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MassBank Record: WA002981

Mexiletine; LC-ESI-Q; MS; POS; 60 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA002981
RECORD_TITLE: Mexiletine; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Mexiletine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H17NO
CH$EXACT_MASS: 179.13101
CH$SMILES: CC(N)COc(c(C)1)c(C)ccc1
CH$IUPAC: InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3
CH$LINK: CAS 31828-71-4
CH$LINK: INCHIKEY VLPIATFUUWWMKC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8048446

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 12.350 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 60 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0a4i-0900000000-b0fe9834cf27e0712ba5
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  103 345 345
  104 27 27
  105 999 999
  106 86 86
  107 106 106
  108 24 24
  109 20 20
  113 20 20
  115 16 16
  117 8 8
  118 470 470
  119 55 55
  120 8 8
  121 329 329
  122 78 78
  123 35 35
  124 12 12
  128 8 8
  129 12 12
  130 8 8
  132 39 39
  133 27 27
  135 102 102
  136 27 27
  144 121 121
  145 24 24
  146 59 59
  148 114 114
  149 12 12
  162 8 8
  163 12 12
  180 16 16
//

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